Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for H₂CO⁺ (formaldehyde cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		723
	Energy 298.15K		681
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		2
	Entropy at any temperature		2
	Integrated Heat Capacity		2
	Heat Capacity (Cp)		2
	Nuclear Repulsion Energy		719
	HOMO-LUMO Energies		593
	Barriers to Internal Rotation		0
Geometries	Cartesians		704
	Internal Coordinates		704
	Products of moments of inertia	x	696	x
	Rotational Constants	x	705	x
	Point Group		720
Vibrations	Vibrational Frequencies	fun.	702	x
	Vibrational Intensities		796
	Zero-point energies	x	702	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		409
	Dipole		492
	Quadrupole		402
	Polarizability		432
Other results	Spin		715
	Number of basis functions		145
	Conformations		1